(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol

C13H25NO8 — CID 56678512

IUPAC(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@@H]1CN(C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H](CO)O1
InChIInChI=1S/C13H25NO8/c1-19-9-5-14(3-7(6-15)21-9)4-8-10(16)11(17)12(18)13(20-2)22-8/h7-13,15-18H,3-6H2,1-2H3/t7-,8+,9-,10+,11-,12+,13-/m0/s1
InChIKeyLLTLUBIVTVODAB-OZRJGJILSA-N
MW323.34 g/mol
LogP-2.89
Rot. Bonds5

About (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 56678512) has the molecular formula C13H25NO8 and a molecular weight of 323.34 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol
PubChem CID56678512
Molecular FormulaC13H25NO8
Molecular Weight323.34 g/mol
Exact Mass323.16
IUPAC Name(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@@H]1CN(C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H](CO)O1
InChIInChI=1S/C13H25NO8/c1-19-9-5-14(3-7(6-15)21-9)4-8-10(16)11(17)12(18)13(20-2)22-8/h7-13,15-18H,3-6H2,1-2H3/t7-,8+,9-,10+,11-,12+,13-/m0/s1
InChIKeyLLTLUBIVTVODAB-OZRJGJILSA-N
XLogP-2.89
TPSA121.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol (CID 56678512) is (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol is CO[C@@H]1CN(C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is LLTLUBIVTVODAB-OZRJGJILSA-N. The full InChI is InChI=1S/C13H25NO8/c1-19-9-5-14(3-7(6-15)21-9)4-8-10(16)11(17)12(18)13(20-2)22-8/h7-13,15-18H,3-6H2,1-2H3/t7-,8+,9-,10+,11-,12+,13-/m0/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 323.34 g/mol, XLogP of -2.89, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 56678512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).